N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine

C16H21N3O — CID 115940101

IUPACN-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2ccc(C)nc2)cn1
InChIInChI=1S/C16H21N3O/c1-4-15(17-5-2)16-9-8-14(11-19-16)20-13-7-6-12(3)18-10-13/h6-11,15,17H,4-5H2,1-3H3
InChIKeyWPYLAPNAEAGZFT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds6

About N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine

N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine (PubChem CID 115940101) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
PubChem CID115940101
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2ccc(C)nc2)cn1
InChIInChI=1S/C16H21N3O/c1-4-15(17-5-2)16-9-8-14(11-19-16)20-13-7-6-12(3)18-10-13/h6-11,15,17H,4-5H2,1-3H3
InChIKeyWPYLAPNAEAGZFT-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940035
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 114673855
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine
CID 115940076
N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584875

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine (CID 115940101) is N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(Oc2ccc(C)nc2)cn1.
What is the InChIKey of N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine?
The InChIKey is WPYLAPNAEAGZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-15(17-5-2)16-9-8-14(11-19-16)20-13-7-6-12(3)18-10-13/h6-11,15,17H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115940101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).